5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H21N5O4 — CID 170505077

IUPAC5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCc3oc(C4CCC4)nc3C2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C20H21N5O4/c1-10-8-12(15-16(21-10)24(2)20(28)23-17(15)26)19(27)25-7-6-14-13(9-25)22-18(29-14)11-4-3-5-11/h8,11H,3-7,9H2,1-2H3,(H,23,26,28)
InChIKeyYCGQZOCHYKIJJZ-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.38
Rot. Bonds2

About 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 170505077) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID170505077
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCc3oc(C4CCC4)nc3C2)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C20H21N5O4/c1-10-8-12(15-16(21-10)24(2)20(28)23-17(15)26)19(27)25-7-6-14-13(9-25)22-18(29-14)11-4-3-5-11/h8,11H,3-7,9H2,1-2H3,(H,23,26,28)
InChIKeyYCGQZOCHYKIJJZ-UHFFFAOYSA-N
XLogP1.38
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 169422207
4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
CID 170506971
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 170506722
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171709891
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512082
3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 170505389
5-(3-hydroxypyrrolidine-1-carbonyl)-1-methyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110087813
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504825
5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92626865
6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 155971663

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 170505077) is 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(=O)N2CCc3oc(C4CCC4)nc3C2)c2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YCGQZOCHYKIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-10-8-12(15-16(21-10)24(2)20(28)23-17(15)26)19(27)25-7-6-14-13(9-25)22-18(29-14)11-4-3-5-11/h8,11H,3-7,9H2,1-2H3,(H,23,26,28).
What are the key properties of 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 395.42 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 170505077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).